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Substance Name: Azure B
RN: 531-55-5
UNII: 7C8BEL8WQV
InChIKey: KFZNPGQYVZZSNV-UHFFFAOYSA-M

Classification Code

  • Mutation Data

Molecular Formula

  • C15-H16-N3-S.Cl

Molecular Weight

  • 305.8314
 
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Names and Synonyms

Name of Substance

  • Azure B

Synonyms

  • 3-(Dimethylamino)-7-(methylamino)-phenothiazin-5-ium chloride
  • 3-(Dimethylamino)-7-(methylimino)-3H-phenothiazine hydrochloride
  • 3-Methylamino-7-dimethylaminophenzathonium chloride
  • AZUR I
  • Azure B
  • Azure I
  • C.I. 52010
  • CCRIS 9314
  • EINECS 208-511-2
  • Methylene Azure (VAN)
  • Methylene azure B
  • Modr Kresylova BB
  • Modr Kresylova BB [Czech]
  • NSC 9598
  • Trimethylthionine chloride
  • UNII-7C8BEL8WQV

Systematic Names

  • 3-Methylamino-7-dimethylaminophenothiazin-5-ium chloride
  • 3H-Phenothiazine, 3-(dimethylamino)-7-(methylimino)-, hydrochloride
  • Phenothiazin-5-ium, 3-(dimethylamino)-7-(methylamino)-, chloride (8CI)(9CI)

Registry Numbers

CAS Registry Number

  • 531-55-5

FDA UNII

  • 7C8BEL8WQV

Other Registry Numbers

  • 2150-35-8
  • 31754-60-6

System Generated Number

  • 0000531555

Molecular Formulas

Molecular Formula

  • C15-H16-N3-S.Cl

Molecular Formula Fragments

  • C15-H16-N3-S
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C15H16N3S.ClH/c1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;/h4-9,16H,1-3H3;1H/q+1;/p-1

InChIKey

KFZNPGQYVZZSNV-UHFFFAOYSA-M

Smiles

CNc1ccc2c(c1)[s+]c3cc(ccc3n2)N(C)C.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 65mg/kg (65mg/kg)   Toxicology and Applied Pharmacology. Vol. 44, Pg. 225, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.480 (none)   EST
Atmospheric OH Rate Constant 2.04E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.